4-(二乙氨基)-2-(1-萘基)丁腈
TL;DR: 4-(二乙氨基)-2-(1-萘基)丁腈 (CAS 2572-73-8) is a chemical compound with molecular formula C18H22N2 and molecular weight 266.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(二乙氨基)-2-(1-萘基)丁腈
4-(diethylamino)-2-naphthalen-1-ylbutanenitrile
Also Known As: alpha-(2-(Diethylamino)ethyl)-1-naphthaleneacetonitrile, 4-(diethylamino)-2-naphthalen-1-ylbutanenitrile, 4-14-00-01824 (Beilstein Handbook Reference), 4-(DIETHYLAMINO)-2-(NAPHTHALEN-1-YL)BUTANENITRILE, 4-(N,N-diethylamino)-2-(1-naphthyl)butyronitrile
| Molecular Formula | C18H22N2 |
|---|---|
| Molecular Weight | 266.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.17828 |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 2572-73-8 |
|---|---|
| SMILES | CCN(CC)CCC(C#N)C1=CC=CC2=CC=CC=C21 |
| InChIKey | OTKDXFJFXVASII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(二乙氨基)-2-(1-萘基)丁腈 (CAS 2572-73-8), with molecular formula C18H22N2 and molecular weight 266.18 g/mol. IUPAC: 4-(diethylamino)-2-naphthalen-1-ylbutanenitrile.
Chemical Property Profile of 4-(二乙氨基)-2-(1-萘基)丁腈
Property Insights of 4-(二乙氨基)-2-(1-萘基)丁腈
The XLogP value of 4.0 indicates that 4-(二乙氨基)-2-(1-萘基)丁腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 4-(二乙氨基)-2-(1-萘基)丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(二乙氨基)-2-(1-萘基)丁腈 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(二乙氨基)-2-(1-萘基)丁腈?
The CAS number of 4-(二乙氨基)-2-(1-萘基)丁腈 is 2572-73-8.
What is the molecular formula of 4-(二乙氨基)-2-(1-萘基)丁腈?
The molecular formula of 4-(二乙氨基)-2-(1-萘基)丁腈 is C18H22N2.
What is the molecular weight of 4-(二乙氨基)-2-(1-萘基)丁腈?
The molecular weight of 4-(二乙氨基)-2-(1-萘基)丁腈 is 266.18 g/mol.
Where can I buy 4-(二乙氨基)-2-(1-萘基)丁腈?
You can request a quote for 4-(二乙氨基)-2-(1-萘基)丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(二乙氨基)-2-(1-萘基)丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4-(二乙氨基)-2-(1-萘基)丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.